1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine

C9H20NO5PS — CID 19977992

IUPAC1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine
SMILESCCOP(=O)(CS(=O)(=O)N1CCCC1)OCC
InChIInChI=1S/C9H20NO5PS/c1-3-14-16(11,15-4-2)9-17(12,13)10-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyIIGLBDAFNNSGCZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.64
Rot. Bonds7

About 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine

1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine (PubChem CID 19977992) has the molecular formula C9H20NO5PS and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine
PubChem CID19977992
Molecular FormulaC9H20NO5PS
Molecular Weight285.30 g/mol
Exact Mass285.08
IUPAC Name1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine
SMILESCCOP(=O)(CS(=O)(=O)N1CCCC1)OCC
InChIInChI=1S/C9H20NO5PS/c1-3-14-16(11,15-4-2)9-17(12,13)10-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyIIGLBDAFNNSGCZ-UHFFFAOYSA-N
XLogP1.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine?
The IUPAC name of 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine (CID 19977992) is 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine is CCOP(=O)(CS(=O)(=O)N1CCCC1)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine?
The InChIKey is IIGLBDAFNNSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO5PS/c1-3-14-16(11,15-4-2)9-17(12,13)10-7-5-6-8-10/h3-9H2,1-2H3.
What are the key properties of 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine?
1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine has a molecular weight of 285.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine is sourced from PubChem (CID 19977992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).